ZrSiTe Data availability.zip
ZrSiTe Data availability
Readme.txt
1.1 kB
calculations
Pseudopotentials
Si.rel-pbe-oncvpsp-3.2.3.UPF
307.8 kB
Te.rel-pbe-oncvpsp-3.2.3.UPF
332.6 kB
Zr.rel-pbe-oncvpsp-3.2.3.UPF
417.5 kB
bulk
SOC
.lowdin
1.1 kB
ZrSiTe.bands.in
23.1 kB
ZrSiTe.bands.out
375.3 kB
ZrSiTe.projwfc.in
66 Bytes
ZrSiTe.projwfc.out
14.2 MB
ZrSiTe.save
atomic_proj.xml
120.2 MB
data-file-schema.xml
1.4 MB
ZrSiTe.scf.in
2.1 kB
ZrSiTe.scf.out
75.0 kB
ZrSiTe.xml
1.4 MB
woSOC
.lowdin
1.1 kB
ZrSiTe.bands.in
23.1 kB
ZrSiTe.bands.out
249.6 kB
ZrSiTe.projwfc.in
66 Bytes
ZrSiTe.projwfc.out
3.9 MB
ZrSiTe.save
atomic_proj.xml
30.8 MB
data-file-schema.xml
810.5 kB
ZrSiTe.scf.in
2.1 kB
ZrSiTe.scf.out
52.5 kB
ZrSiTe.xml
810.5 kB
slab
ZrSiTe.bands.in
9.9 kB
ZrSiTe.bands.out
1.4 MB
ZrSiTe.projwfc.in
66 Bytes
ZrSiTe.projwfc.out
239.7 MB
ZrSiTe.scf.in
4.0 kB
ZrSiTe.scf.out
398.7 kB
experimental data
Fig3
Fig3_metadata.rtf
1.3 kB
Fig3_panelb.txt
204.8 kB
Fig3_panelb_XYZ.txt
629.7 kB
Fig3_paneld.txt
3.0 MB
Fig3_paneld_XYZ.txt
8.6 MB
Fig3_panele_LHS.txt
743.7 kB
Fig3_panele_LHS_XYZ.txt
2.1 MB
Fig3_panele_RHS.txt
333.8 kB
Fig3_panele_RHS_XYZ.txt
986.5 kB
Fig3_panelf.txt
101.0 kB
Fig3_panelf_XYZ.txt
286.4 kB
Fig5
Fig5_metadata.rtf
942 Bytes
Fig5_panela_XYZ.txt
25.1 MB
Panelb.txt
10.4 kB
Panelc.txt
10.3 kB
Paneld.txt
10.4 kB
Panele.txt
5.5 kB
Panelf.txt
5.5 kB
Panelg.txt
5.5 kB
Fig6
Fig6_metadata.rtf
1.1 kB
Panelb.txt
207.5 kB
Paneld.txt
777.0 kB
Panele.txt
42.1 kB